SCHEMBL2414932

SCHEMBL2414932

Cc1cccc(C2c3cccn3CCN2C(=O)CN(C(=O)NC(C)(C)C)C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
HHAT Q5VTY9 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
STAT3 P40763 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2416722 0.83 CNR1 (0.46) ADRA2CCNR1CNR2MAPTKDM4E
SCHEMBL1267069 0.79 ADRA2C (0.55) ADRA2CMAPTKDM4EALDH1A1TDP1
SCHEMBL2418833 0.71 ADRA2C (0.47) ADRA2CCNR1CNR2MAPTKDM4E
SCHEMBL2415540 0.70 ADRA2C (0.41) ADRA2CCNR1CNR2MAPTKDM4E
SCHEMBL1266771 0.70 ALDH1A1 (0.50) ADRA2CMAPTKDM4EALDH1A1TDP1
SCHEMBL1265968 0.70 ALDH1A1 (0.47) ADRA2CMAPTKDM4EALDH1A1TDP1
SCHEMBL1266801 0.68 KMT2A (0.52) ADRA2CMAPTKDM4EALDH1A1TDP1
SCHEMBL2424265 0.68 ADRA2C (0.45) ADRA2CMAPTALDH1A1TDP1MEN1
SCHEMBL1267009 0.68 ALDH1A1 (0.48) ADRA2CMAPTKDM4EALDH1A1TDP1
SCHEMBL2417334 0.67 ADRA2C (0.58) ADRA2CMAPTKDM4EALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US claimed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US claimed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US claimed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 US claimed
US-8017772-B2 Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2011-09-13 US disclosed
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN GRUENENTHAL GMBH (DE) 2010-01-07 US disclosed
US-7625900-B2 Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain GRUENENTHAL GMBH (DE) 2009-12-01 US disclosed
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain GRUENENTHAL GMBH (DE) 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004252-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885CNR1 427/4885CNR2 220/4885
US-20080167315-A1 Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain KCNQ2, KCNQ1, KCNJ2 ADRA2C 272/4885CNR1 427/4885CNR2 220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.